8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C8H2Cl2F5N3 — CID 3805723

IUPAC8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nnc(C(F)(F)Cl)n2c1
InChIInChI=1S/C8H2Cl2F5N3/c9-4-1-3(8(13,14)15)2-18-5(4)16-17-6(18)7(10,11)12/h1-2H
InChIKeyUWFPWWFHGPKIAY-UHFFFAOYSA-N
MW306.02 g/mol
LogP3.69
Rot. Bonds1

About 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 3805723) has the molecular formula C8H2Cl2F5N3 and a molecular weight of 306.02 g/mol. Its IUPAC name is 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID3805723
Molecular FormulaC8H2Cl2F5N3
Molecular Weight306.02 g/mol
Exact Mass304.95
IUPAC Name8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cc(Cl)c2nnc(C(F)(F)Cl)n2c1
InChIInChI=1S/C8H2Cl2F5N3/c9-4-1-3(8(13,14)15)2-18-5(4)16-17-6(18)7(10,11)12/h1-2H
InChIKeyUWFPWWFHGPKIAY-UHFFFAOYSA-N
XLogP3.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.02
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 3805723) is 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cc(Cl)c2nnc(C(F)(F)Cl)n2c1.
What is the InChIKey of 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is UWFPWWFHGPKIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2F5N3/c9-4-1-3(8(13,14)15)2-18-5(4)16-17-6(18)7(10,11)12/h1-2H.
What are the key properties of 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 306.02 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[chloro(difluoro)methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 3805723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).